1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

C19H33N5O2 — CID 97194846

IUPAC1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C19H33N5O2/c1-21(2)7-4-9-23-10-6-20-19(23)17-5-3-8-24(15-17)18(25)16-22-11-13-26-14-12-22/h6,10,17H,3-5,7-9,11-16H2,1-2H3/t17-/m0/s1
InChIKeyOYJZUZHTTPHYSL-KRWDZBQOSA-N
MW363.51 g/mol
LogP0.87
Rot. Bonds7

About 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 97194846) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID97194846
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C19H33N5O2/c1-21(2)7-4-9-23-10-6-20-19(23)17-5-3-8-24(15-17)18(25)16-22-11-13-26-14-12-22/h6,10,17H,3-5,7-9,11-16H2,1-2H3/t17-/m0/s1
InChIKeyOYJZUZHTTPHYSL-KRWDZBQOSA-N
XLogP0.87
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone with MolForge

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Related Compounds

1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72837384
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72844026
1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 97274758
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 72874438
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 72921411
1-[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97281969
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 97268972
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97276318
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 97271614
1-[2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97275691
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97283595
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 72879685

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 97194846) is 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)CN2CCOCC2)C1.
What is the InChIKey of 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is OYJZUZHTTPHYSL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-21(2)7-4-9-23-10-6-20-19(23)17-5-3-8-24(15-17)18(25)16-22-11-13-26-14-12-22/h6,10,17H,3-5,7-9,11-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 363.51 g/mol, XLogP of 0.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 97194846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).